Geometry & MOs

Info

ID:	38278
PubChem CID:	8029001
Reduced:	ClN3O3H17C22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	379.141973
ΔH_f, kcal/mol:	-2.91
Dipole, Da:	5.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.899198
Charge, e:	0

Chem-info

IUPAC name:

2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@H]2C3=C(C=C(C=C3)O)OC4=C2C(=[N+](C=N4)CC5=CC=CO5)N)Cl

DOS

IR

Vibrations